SCHEMBL19970839

SCHEMBL19970839

FC(F)(F)Oc1cccc(CN2CCN(Cc3ccc4[nH]c(-c5cccnc5)nc4c3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 9/20 0.49
NPY5R Q15761 1/20 0.48
RUNX1 Q01196 2/20 0.47
TRPV6 Q9H1D0 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
STAT1 P42224 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRM1 P35372 1/20 0.43
LDHA P00338 1/20 0.42
EPHX2 P34913 1/20 0.42
SLC2A1 P11166 1/20 0.42
IDO1 P14902 1/20 0.42
NAMPT P43490 1/20 0.41
CYP11B1 P15538 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19970841 0.93 RUNX1 (0.53) KITNPY5RRUNX1TRPV6KDM4E
SCHEMBL19970729 0.93 NAMPT (0.49) KITNPY5RRUNX1KDM4ENPC1
SCHEMBL19970752 0.90 RUNX1 (0.52) RUNX1KDM4EALDH1A1OPRM1SLC2A1
SCHEMBL19970864 0.89 STAT3 (0.51) KITKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL19970730 0.85 RUNX1 (0.54) KITNPY5RRUNX1KDM4ENPC1
SCHEMBL19970797 0.84 DGAT1 (0.53) KITNPY5RKDM4ENPC1ALDH1A1
SCHEMBL19970865 0.84 STAT3 (0.51) KITRUNX1KDM4EALDH1A1MAPT
SCHEMBL19970757 0.83 CBFB (0.58) RUNX1KDM4ENPC1ALDH1A1MAPT
SCHEMBL19970753 0.82 RUNX1 (0.59) RUNX1OPRM1SLC2A1
SCHEMBL19970740 0.82 RUNX1 (0.54) RUNX1ALDH1A1SLC2A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-10-25 US disclosed
US-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION UNIVERSITE D'ORLEANS (FR) 2021-09-23 US disclosed
EP-3296297-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210292350-A1 BENZIMIDAZOL DERIVATIVES FOR TREATING FILOVIRUS INFECTION FIP1L1, ZC3HAV1, MAVS KIT 2765/4885NPY5R 4623/4885RUNX1 2083/4885
US-11479571-B2 Benzimidazol derivatives for treating filovirus infection FIP1L1, ZC3HAV1, MAVS KIT 2765/4885NPY5R 4623/4885RUNX1 2083/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.